N-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]spiro[2.2]pentane-1-carboxamide

• ChemBase ID: 655320
• Molecular Formular: C21H22ClNO2
• Molecular Mass: 355.85788
• Monoisotopic Mass: 355.13390663
• SMILES: C12(C(C(=O)N(Cc3cc(Cl)ccc3)Cc3ccc(cc3)OC)C1)CC2
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C1CC21CC2)Cc1cccc(c1)Cl
• InChI: InChI=1S/C21H22ClNO2/c1-25-18-7-5-15(6-8-18)13-23(14-16-3-2-4-17(22)11-16)20(24)19-12-21(19)9-10-21/h2-8,11,19H,9-10,12-14H2,1H3
• InChIKey: ACGNYRWOWVARHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]spiro[2.2]pentane-1-carboxamide
• IUPAC Traditional name: N-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]spiro[2.2]pentane-1-carboxamide
• Synonyms: N-(3-chlorobenzyl)-N-(4-methoxybenzyl)spiro[2.2]pentane-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.21552
• LogD (pH = 7.4): 4.21552
• Log P: 4.21552
• Molar Refractivity: 99.3732 cm^3
• Polarizability: 38.77708 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.02
• LOG S: -5.23
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6